Bhawna Sahni

Bhawna Sahni

Postdoctoral Research Fellow | Computational Materials Scientist

Hi! I am a computational materials scientist with 8+ years of experience in DFT/DFPT, electronic and thermal transport, and materials discovery. At Rensselaer Polytechnic Institute, current research includes screening dielectrics for advanced node technologies (in collaboration with R&D industry partners), developing AIMD/MLIP workflows for amorphous thermal transport, and topology-analysis workflows for an ARPA-E permanent-magnet project. At the University of Warwick, I developed a DFT/DFPT-based workflow that reduced deformation potential calculation cost by at least 20× while retaining ab initio accuracy.

Research Interests: Materials Informatics, Thermoelectric Materials, DFT/DFPT, High-Throughput Screening, Topological Materials, Electron-Phonon Coupling, Magnetic Materials, Machine-Learned Interatomic Potentials, Amorphous Materials, Molecular Dynamics

Research highlights

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Selected work on how crystal structure and carrier scattering shape electronic and thermoelectric transport. Select a figure to take a closer look.

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